3-(Difluoromethoxy)benzyl bromide

C₈H₇BrF₂OCAS 72768-95-7237.04 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₇BrF₂O
Molar mass: 237.04 g/mol
Exact mass: 235.9648 Da
logP: 3.18Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

72768-95-7

SMILES

C1=CC(=CC(=C1)OC(F)F)CBr

InChIKey

TZYKSTKEVLDYAP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrF2O/c9-5-6-2-1-3-7(4-6)12-8(10)11/h1-4,8H,5H2

Weigh it out

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Work with 3-(Difluoromethoxy)benzyl bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methoxybenzyl bromide874-98-661 % similar 3-(Difluoromethoxy)phenylacetonitrile41429-18-959 % similar 3-(4-Fluorophenoxy)benzyl bromide65295-58-157 % similar 3-(Difluoromethoxy)bromobenzene262587-05-356 % similar 3-Phenoxybenzyl bromide51632-16-756 % similar 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-056 % similar 3-Fluorobenzyl bromide456-41-753 % similar 3-Benzyloxybenzyl bromide1700-31-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-ethoxy-2,3-difluorobenzene156573-09-0 4-(Difluoromethoxy)benzyl bromide3447-53-8 2-(Difluoromethoxy)benzyl bromide85684-64-6

Elsewhere

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